3,4-diphenyl-4H-1,2,4-triazole

Base Information

• Chemical Name: 3,4-diphenyl-4H-1,2,4-triazole
• CAS No.: 14331-64-7
• Molecular Formula: C14H11N3
• Molecular Weight: 221.261
• European Community (EC) Number: 660-489-7
• DSSTox Substance ID: DTXSID60409398
• Nikkaji Number: J2.273.495D
• Wikidata: Q82215219
• Mol file: 14331-64-7.mol

Synonyms:3,4-diphenyl-4H-1,2,4-triazole;3,4-diphenyl-1,2,4-triazole;14331-64-7;SCHEMBL1042019;DTXSID60409398;AKOS001398401;Z235344975

Chemical Property of 3,4-diphenyl-4H-1,2,4-triazole

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 221.095297364
• Heavy Atom Count: 17
• Complexity: 232

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NN=CN2C3=CC=CC=C3

Technology Process of 3,4-diphenyl-4H-1,2,4-triazole

There total 22 articles about 3,4-diphenyl-4H-1,2,4-triazole which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 95.0%

2-phenyl-1,3,4-oxadiazole (825-56-9) + aniline (62-53-3) → 3,4-diphenyl-1,2,4-triazole (14331-64-7)

Guidance literature:

With trifluoroacetic acid; In 1,2-dichloro-benzene; at 190 ℃; for 10h;

DOI:10.1007/s10593-005-0240-2

Reference yield: 86.0%

4,5-diphenyl-4H-1,2,4-triazole-3-thiol (6596-82-3) → 3,4-diphenyl-1,2,4-triazole (14331-64-7)

Guidance literature:

With dihydrogen peroxide; acetic acid; In dichloromethane; at 20 ℃; for 3h;

DOI:10.1055/s-2005-921754

Reference yield: 78.0%

C20H19N3O2S (90959-31-2) → 3,4-diphenyl-1,2,4-triazole (14331-64-7) + sodium benzenesulfonate (873-55-2)

Guidance literature:

With sodium hydride; In 1,4-dioxane; for 20h; Yields of byproduct given; Heating; under nitrogen;

DOI:10.1246/bcsj.57.544

upstream raw materials:

4,5-diphenyl-2,4-dihydro-[1,2,4]triazole-3-thione

benzoic acid-(anilinomethylene-hydrazide)

C₂₀H₁₉N₃O₂S

2-phenyl-1,3,4-oxadiazole

Downstream raw materials:

4,5-diphenyl-4H-1,2,4-triazol-3-ylmethanol

3,4,5-triphenyl-1,2,4-triazole

3-(4-methoxyphenyl)-4,5-diphenyl-4H-1,2,4-triazole

4-(4,5-diphenyl-4H-1,2,4-triazol-3-yl)benzonitrile